SCHEMBL7299347

SCHEMBL7299347

CC(=O)Nc1cccn(C2=CC(C)(C)Oc3ncccc32)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S100A4 P26447 2/20 0.34
CYP1A2 P05177 1/20 0.34
CASP3 P42574 1/20 0.33
MAOA P21397 1/20 0.33
ELANE P08246 1/20 0.32
AKT1 P31749 1/20 0.32
CCNE2 O96020 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
DRD1 P21728 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7373402 0.84 S100A4 (0.32) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7366868 0.84 S100A4 (0.36) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7294380 0.83 MEN1 (0.37) MEN1KMT2ASMN1; SMN2PKMKDM4E
SCHEMBL7293398 0.82 KDM4E (0.35) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7293093 0.81 PDE5A (0.36) KDM4E
SCHEMBL7293383 0.80 CCNC (0.36) SMN1; SMN2PKM
SCHEMBL7296855 0.80 SMN1; SMN2 (0.34) KMT2ASMN1; SMN2PKMKDM4EALDH1A1
SCHEMBL7348702 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL7292929 0.80 NPBWR1 (0.30)
SCHEMBL7300227 0.80 MEN1 (0.37) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed